orbital_charges     :real:2:4,6
  0.631861040825374E+000  0.473650579211625E+000  0.510980763033255E+000
  0.474177148530773E+000  0.632680280899304E+000  0.471518296001739E+000
  0.515477492705999E+000  0.472739547703045E+000  0.454225905559232E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.453249679601939E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.453299086989482E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.456140178938232E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
forces              :real:2:3,6
 -0.315030851766642E+000  0.132637783015959E-001  0.417908345392186E-002
  0.323568630809995E+000 -0.110923490582106E-001  0.155184542752856E-002
  0.791294410962757E-002 -0.101514134297385E-001  0.534898316370603E-002
  0.998681191878556E-003  0.363375646341979E-003 -0.874443552603196E-002
 -0.814081047696077E-002 -0.452577193004361E-002 -0.784975836157269E-002
 -0.930859386789850E-002  0.121423804700548E-001  0.551428184244820E-002
mermin_energy       :real:0:
 -0.466653033298319E+001
end_coords          :real:2:3,6
 -0.128243929851943E+001  0.120076212875887E-001 -0.702458582077099E-001
  0.120136687886973E+001 -0.352212798929305E-002 -0.772159235439844E-001
 -0.240923297894842E+001  0.179495536097774E+001 -0.167165916840087E+000
 -0.237889354158535E+001 -0.174027285137498E+001 -0.209048254075640E+000
  0.239190105468801E+001  0.171296289043598E+001 -0.229930992365849E+000
  0.230880286767582E+001 -0.181206807702347E+001 -0.956482352475437E-001
